ethyl 4-[[(3S)-4-cyclohexyl-3-(2-hydroxyethyl)piperazin-4-ium-1-yl]methyl]-1H-pyrazole-5-carboxylate

Systemtic Name: ethyl 4-[[(3S)-4-cyclohexyl-3-(2-hydroxyethyl)piperazin-4-ium-1-yl]methyl]-1H-pyrazole-5-carboxylate Openeye Name: ethyl 4-[[(3S)-4-cyclohexyl-3-(2-hydroxyethyl)piperazin-4-ium-1-yl]methyl]-1H-pyrazole-5-carboxylate CAS Name: 4-[[(3S)-4-cyclohexyl-3-(2-hydroxyethyl)-1-piperazin-4-iumyl]methyl]-1H-pyrazole-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[[(3S)-4-cyclohexyl-3-(2-hydroxyethyl)piperazin-4-ium-1-yl]methyl]-1H-pyrazole-5-carboxylate Traditional Name: 4-[[(3S)-4-cyclohexyl-3-(2-hydroxyethyl)piperazin-4-ium-1-yl]methyl]-1H-pyrazole-5-carboxylic acid ethyl ester Formula: C19H33N4O3+ MolecularWeight: 365.49032

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=NN1)CN2CC[NH+](C(C2)CCO)C3CCCCC3

Isomeric SMILES

CCOC(=O)C1=C(C=NN1)CN2CC[NH+]([C@H](C2)CCO)C3CCCCC3

InChI

InChI=1S/C19H32N4O3/c1-2-26-19(25)18-15(12-20-21-18)13-22-9-10-23(17(14-22)8-11-24)16-6-4-3-5-7-16/h12,16-17,24H,2-11,13-14H2,1H3,(H,20,21)/p+1/t17-/m0/s1